# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CuTa2Zr # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.097925107e+02 3.097925107e+02 1.30 2.872615669e+02 2.872615669e+02 1.32 2.663954860e+02 2.663954860e+02 1.34 2.470630912e+02 2.470630912e+02 1.36 2.291437218e+02 2.291437218e+02 1.38 2.125264857e+02 2.125264857e+02 1.40 1.971099549e+02 1.971099549e+02 1.42 1.828015946e+02 1.828015946e+02 1.44 1.695166036e+02 1.695166036e+02 1.46 1.571763763e+02 1.571763763e+02 1.48 1.457071433e+02 1.457071433e+02 1.50 1.350392399e+02 1.350392399e+02 1.52 1.251072047e+02 1.251072047e+02 1.54 1.158504504e+02 1.158504504e+02 1.56 1.072142111e+02 1.072142111e+02 1.58 9.915021654e+01 9.915021654e+01 1.60 9.161672926e+01 9.161672926e+01 1.62 8.457784398e+01 8.457784398e+01 1.64 7.800237134e+01 7.800237134e+01 1.66 7.186262088e+01 7.186262088e+01 1.68 6.613337761e+01 6.613337761e+01 1.70 6.079119092e+01 6.079119092e+01 1.72 5.581381673e+01 5.581381673e+01 1.74 5.117979734e+01 5.117979734e+01 1.76 4.686817683e+01 4.686817683e+01 1.78 4.285840263e+01 4.285840263e+01 1.80 3.913037567e+01 3.913037567e+01 1.82 3.566460307e+01 3.566460307e+01 1.84 3.244238885e+01 3.244238885e+01 1.86 2.944607001e+01 2.944607001e+01 1.88 2.665917484e+01 2.665917484e+01 1.90 2.406644948e+01 2.406644948e+01 1.92 2.165375456e+01 2.165375456e+01 1.94 1.940953077e+01 1.940953077e+01 1.96 1.732810462e+01 1.732810462e+01 1.98 1.539812000e+01 1.539812000e+01 2.00 1.360777495e+01 1.360777495e+01 2.02 1.194608289e+01 1.194608289e+01 2.04 1.040307717e+01 1.040307717e+01 2.06 8.969886915e+00 8.969886915e+00 2.08 7.638691118e+00 7.638691118e+00 2.10 6.402627025e+00 6.402627025e+00 2.12 5.255630244e+00 5.255630244e+00 2.14 4.192268046e+00 4.192268046e+00 2.16 3.207595129e+00 3.207595129e+00 2.18 2.297033638e+00 2.297033638e+00 2.20 1.456286644e+00 1.456286644e+00 2.22 6.812594603e-01 6.812594603e-01 2.24 -3.199545999e-02 -3.199545999e-02 2.26 -6.873141676e-01 -6.873141676e-01 2.28 -1.288454433e+00 -1.288454433e+00 2.30 -1.839089596e+00 -1.839089596e+00 2.32 -2.342831618e+00 -2.342831618e+00 2.34 -2.803205609e+00 -2.803205609e+00 2.36 -3.223628823e+00 -3.223628823e+00 2.38 -3.607363373e+00 -3.607363373e+00 2.40 -3.957467035e+00 -3.957467035e+00 2.42 -4.276757717e+00 -4.276757717e+00 2.44 -4.567789791e+00 -4.567789791e+00 2.46 -4.832856320e+00 -4.832856320e+00 2.48 -5.074000521e+00 -5.074000521e+00 2.50 -5.293035894e+00 -5.293035894e+00 2.52 -5.491570687e+00 -5.491570687e+00 2.54 -5.671034379e+00 -5.671034379e+00 2.56 -5.832704133e+00 -5.832704133e+00 2.58 -5.977729921e+00 -5.977729921e+00 2.60 -6.107158088e+00 -6.107158088e+00 2.62 -6.221951360e+00 -6.221951360e+00 2.64 -6.323015489e+00 -6.323015489e+00 2.66 -6.411201276e+00 -6.411201276e+00 2.68 -6.487303697e+00 -6.487303697e+00 2.70 -6.551945353e+00 -6.551945353e+00 2.72 -6.605946141e+00 -6.605946141e+00 2.74 -6.650119897e+00 -6.650119897e+00 2.76 -6.685198651e+00 -6.685198651e+00 2.78 -6.711831303e+00 -6.711831303e+00 2.80 -6.730632212e+00 -6.730632212e+00 2.82 -6.742049417e+00 -6.742049417e+00 2.84 -6.746450547e+00 -6.746450547e+00 2.86 -6.744162146e+00 -6.744162146e+00 2.88 -6.735330455e+00 -6.735330455e+00 2.90 -6.719918377e+00 -6.719918377e+00 2.92 -6.697942260e+00 -6.697942260e+00 2.94 -6.669485117e+00 -6.669485117e+00 2.96 -6.634686649e+00 -6.634686649e+00 2.98 -6.593670593e+00 -6.593670593e+00 3.00 -6.546541461e+00 -6.546541461e+00 3.02 -6.493445927e+00 -6.493445927e+00 3.04 -6.434558514e+00 -6.434558514e+00 3.06 -6.370074945e+00 -6.370074945e+00 3.08 -6.300189771e+00 -6.300189771e+00 3.10 -6.225098681e+00 -6.225098681e+00 3.12 -6.145015434e+00 -6.145015434e+00 3.14 -6.060303139e+00 -6.060303139e+00 3.16 -5.971052914e+00 -5.971052914e+00 3.18 -5.877333950e+00 -5.877333950e+00 3.20 -5.779267021e+00 -5.779267021e+00 3.22 -5.677034562e+00 -5.677034562e+00 3.24 -5.570890432e+00 -5.570890432e+00 3.26 -5.461166846e+00 -5.461166846e+00 3.28 -5.348275615e+00 -5.348275615e+00 3.30 -5.232701172e+00 -5.232701172e+00 3.32 -5.114993490e+00 -5.114993490e+00 3.34 -4.995745255e+00 -4.995745255e+00 3.36 -4.875545887e+00 -4.875545887e+00 3.38 -4.754948333e+00 -4.754948333e+00 3.40 -4.634440378e+00 -4.634440378e+00 3.42 -4.514427367e+00 -4.514427367e+00 3.44 -4.395216083e+00 -4.395216083e+00 3.46 -4.277016217e+00 -4.277016217e+00 3.48 -4.159944844e+00 -4.159944844e+00 3.50 -4.044037171e+00 -4.044037171e+00 3.52 -3.929260525e+00 -3.929260525e+00 3.54 -3.815529865e+00 -3.815529865e+00 3.56 -3.702723651e+00 -3.702723651e+00 3.58 -3.590699344e+00 -3.590699344e+00 3.60 -3.479308187e+00 -3.479308187e+00 3.62 -3.368409137e+00 -3.368409137e+00 3.64 -3.257881923e+00 -3.257881923e+00 3.66 -3.147639187e+00 -3.147639187e+00 3.68 -3.037637566e+00 -3.037637566e+00 3.70 -2.927887427e+00 -2.927887427e+00 3.72 -2.818460781e+00 -2.818460781e+00 3.74 -2.709496730e+00 -2.709496730e+00 3.76 -2.601203716e+00 -2.601203716e+00 3.78 -2.493857827e+00 -2.493857827e+00 3.80 -2.387796571e+00 -2.387796571e+00 3.82 -2.283407804e+00 -2.283407804e+00 3.84 -2.181114021e+00 -2.181114021e+00 3.86 -2.081352745e+00 -2.081352745e+00 3.88 -1.984554441e+00 -1.984554441e+00 3.90 -1.891119869e+00 -1.891119869e+00 3.92 -1.801397814e+00 -1.801397814e+00 3.94 -1.715673362e+00 -1.715673362e+00 3.96 -1.634147613e+00 -1.634147613e+00 3.98 -1.556938373e+00 -1.556938373e+00 4.00 -1.484079466e+00 -1.484079466e+00 4.02 -1.415527046e+00 -1.415527046e+00 4.04 -1.351169897e+00 -1.351169897e+00 4.06 -1.290842074e+00 -1.290842074e+00 4.08 -1.234336354e+00 -1.234336354e+00 4.10 -1.181411784e+00 -1.181411784e+00 4.12 -1.131828499e+00 -1.131828499e+00 4.14 -1.085321389e+00 -1.085321389e+00 4.16 -1.041633870e+00 -1.041633870e+00 4.18 -1.000517363e+00 -1.000517363e+00 4.20 -9.617359416e-01 -9.617359416e-01 4.22 -9.250695881e-01 -9.250695881e-01 4.24 -8.903163297e-01 -8.903163297e-01 4.26 -8.572934965e-01 -8.572934965e-01 4.28 -8.258383117e-01 -8.258383117e-01 4.30 -7.958079636e-01 -7.958079636e-01 4.32 -7.670792544e-01 -7.670792544e-01 4.34 -7.395478777e-01 -7.395478777e-01 4.36 -7.131273340e-01 -7.131273340e-01 4.38 -6.877474828e-01 -6.877474828e-01 4.40 -6.633527315e-01 -6.633527315e-01 4.42 -6.398998872e-01 -6.398998872e-01 4.44 -6.173557283e-01 -6.173557283e-01 4.46 -5.956942052e-01 -5.956942052e-01 4.48 -5.748944064e-01 -5.748944064e-01 4.50 -5.549378774e-01 -5.549378774e-01 4.52 -5.358063732e-01 -5.358063732e-01 4.54 -5.174802697e-01 -5.174802697e-01 4.56 -4.999374921e-01 -4.999374921e-01 4.58 -4.831529748e-01 -4.831529748e-01 4.60 -4.670986060e-01 -4.670986060e-01 4.62 -4.517435597e-01 -4.517435597e-01 4.64 -4.370548967e-01 -4.370548967e-01 4.66 -4.229983108e-01 -4.229983108e-01 4.68 -4.095389119e-01 -4.095389119e-01 4.70 -3.966419636e-01 -3.966419636e-01 4.72 -3.842735172e-01 -3.842735172e-01 4.74 -3.724009161e-01 -3.724009161e-01 4.76 -3.609931612e-01 -3.609931612e-01 4.78 -3.500211451e-01 -3.500211451e-01 4.80 -3.394545949e-01 -3.394545949e-01 4.82 -3.292753513e-01 -3.292753513e-01 4.84 -3.194565414e-01 -3.194565414e-01 4.86 -3.099770253e-01 -3.099770253e-01 4.88 -3.008174350e-01 -3.008174350e-01 4.90 -2.919600294e-01 -2.919600294e-01 4.92 -2.833885403e-01 -2.833885403e-01 4.94 -2.750880184e-01 -2.750880184e-01 4.96 -2.670446851e-01 -2.670446851e-01 4.98 -2.592457931e-01 -2.592457931e-01 5.00 -2.516794985e-01 -2.516794985e-01 5.02 -2.443347466e-01 -2.443347466e-01 5.04 -2.372011698e-01 -2.372011698e-01 5.06 -2.302690009e-01 -2.302690009e-01 5.08 -2.235289993e-01 -2.235289993e-01 5.10 -2.169723917e-01 -2.169723917e-01 5.12 -2.105908269e-01 -2.105908269e-01 5.14 -2.043763454e-01 -2.043763454e-01 5.16 -1.983213629e-01 -1.983213629e-01 5.18 -1.924186703e-01 -1.924186703e-01 5.20 -1.866614481e-01 -1.866614481e-01 5.22 -1.810432970e-01 -1.810432970e-01 5.24 -1.755582826e-01 -1.755582826e-01 5.26 -1.702009948e-01 -1.702009948e-01 5.28 -1.649666162e-01 -1.649666162e-01 5.30 -1.598509987e-01 -1.598509987e-01 5.32 -1.548507391e-01 -1.548507391e-01 5.34 -1.499632477e-01 -1.499632477e-01 5.36 -1.451867992e-01 -1.451867992e-01 5.38 -1.405205565e-01 -1.405205565e-01 5.40 -1.359645549e-01 -1.359645549e-01 5.42 -1.315196407e-01 -1.315196407e-01 5.44 -1.271873564e-01 -1.271873564e-01 5.46 -1.229697744e-01 -1.229697744e-01 5.48 -1.188692844e-01 -1.188692844e-01 5.50 -1.148883469e-01 -1.148883469e-01 5.52 -1.110292327e-01 -1.110292327e-01 5.54 -1.072937687e-01 -1.072937687e-01 5.56 -1.036831123e-01 -1.036831123e-01 5.58 -1.001975731e-01 -1.001975731e-01 5.60 -9.683641391e-02 -9.683641391e-02 5.62 -9.359792199e-02 -9.359792199e-02 5.64 -9.047950332e-02 -9.047950332e-02 5.66 -8.747760466e-02 -8.747760466e-02 5.68 -8.458783159e-02 -8.458783159e-02 5.70 -8.180509440e-02 -8.180509440e-02 5.72 -7.912376586e-02 -7.912376586e-02 5.74 -7.653783730e-02 -7.653783730e-02 5.76 -7.404106283e-02 -7.404106283e-02 5.78 -7.162708527e-02 -7.162708527e-02 5.80 -6.928954040e-02 -6.928954040e-02 5.82 -6.702213933e-02 -6.702213933e-02 5.84 -6.481873053e-02 -6.481873053e-02 5.86 -6.267334468e-02 -6.267334468e-02 5.88 -6.058022608e-02 -6.058022608e-02 5.90 -5.853385474e-02 -5.853385474e-02 5.92 -5.652896311e-02 -5.652896311e-02 5.94 -5.456055123e-02 -5.456055123e-02 5.96 -5.262390368e-02 -5.262390368e-02 5.98 -5.071461103e-02 -5.071461103e-02 6.00 -4.882859665e-02 -4.882859665e-02